Vitas-M small molecule compound
ethyl 4-{[(6-tert-butyl-2-{[(E)-(2-ethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}benzoate
Catalog ID
STK188378
SMILES CCOC(=O)c1ccc(cc1)NC(=O)c1c(/N=C/c2ccccc2OCC)sc2c1CCC(C2)C(C)(C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H36N2O4S MW 532.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H36N2O4S/c1-6-36-25-11-9-8-10-21(25)19-32-29-27(24-17-14-22(31(3,4)5)18-26(24)38-29)28(34)33-23-15-12-20(13-16-23)30(35)37-7-2/h8-13,15-16,19,22H,6-7,14,17-18H2,1-5H3,(H,33,34)/b32-19+InChIKey
CJUAOWAFKTXABK-BIZUNTBRSA-NSynonyms
CCOC(=O)c1ccc(cc1)NC(=O)c1c(N=Cc2ccccc2OCC)sc2c1CCC(C2)C(C)(C)C
CCOC1=CC=CC=C1C=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4=CC=C(C=C4)C(=O)OCC
ethyl4(((6tertbutyl2(((E)(2ethoxyphenyl)methylidene)amino)4567tetrahydro1benzothiophen3yl)carbonyl)amino)benzoate
ethyl4((6tertbutyl2((E)(2ethoxyphenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonyl)amino)benzoate
InChI=1SC31H36N2O4Sc16362511981021(25)19322927(24171422(31(34)5)1826(24)3829)28(34)3323151220(131623)30(35)3772h81315161922H67141718H215H3(H3334)b3219+
MFCD03616453
ZINC000009907690
ZINC000009907691
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